1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide

C10H15N5O — CID 107498166

IUPAC1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
SMILESCC(CC#N)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C10H15N5O/c1-8(2-3-11)14-10(16)9-6-15(5-4-12)7-13-9/h6-8H,2,4-5,12H2,1H3,(H,14,16)
InChIKeyRXGJXXIDDDBFCG-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.13
Rot. Bonds5

About 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide (PubChem CID 107498166) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
PubChem CID107498166
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
SMILESCC(CC#N)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C10H15N5O/c1-8(2-3-11)14-10(16)9-6-15(5-4-12)7-13-9/h6-8H,2,4-5,12H2,1H3,(H,14,16)
InChIKeyRXGJXXIDDDBFCG-UHFFFAOYSA-N
XLogP-0.13
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
CID 107499731
6-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 107498996
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
1-(2-aminoethyl)-N-(2-cyanopropyl)imidazole-4-carboxamide
CID 107498305
1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide
CID 107496824
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
CID 107496790
methyl (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-methylpentanoate
CID 107499600
1-(2-aminoethyl)-N-(2-methyl-1-phenylpropyl)imidazole-4-carboxamide
CID 107496348
1-(2-aminoethyl)-N-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 107497612
1-(2-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]imidazole-4-carboxamide
CID 114158942
1-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazole-4-carboxamide
CID 106388320

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide (CID 107498166) is 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide is CC(CC#N)NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide?
The InChIKey is RXGJXXIDDDBFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8(2-3-11)14-10(16)9-6-15(5-4-12)7-13-9/h6-8H,2,4-5,12H2,1H3,(H,14,16).
What are the key properties of 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107498166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).